CID 134888461

C12H19Cl2Ta — CID 134888461

IUPAC—
SMILESC=C.C[C]1C(C)=C(C)C(C)=C1C.Cl[Ta]Cl
InChIInChI=1S/C10H15.C2H4.2ClH.Ta/c1-6-7(2)9(4)10(5)8(6)3;1-2;;;/h1-5H3;1-2H2;2*1H;/q;;;;+2/p-2
InChIKeyGFGASTQBSLNDST-UHFFFAOYSA-L
MW415.14 g/mol
LogP5.45
Rot. Bonds

About CID 134888461

CID 134888461 (PubChem CID 134888461) has the molecular formula C12H19Cl2Ta and a molecular weight of 415.14 g/mol.

Molecular Properties

Compound NameCID 134888461
PubChem CID134888461
Molecular FormulaC12H19Cl2Ta
Molecular Weight415.14 g/mol
Exact Mass414.03
IUPAC Name—
SMILESC=C.C[C]1C(C)=C(C)C(C)=C1C.Cl[Ta]Cl
InChIInChI=1S/C10H15.C2H4.2ClH.Ta/c1-6-7(2)9(4)10(5)8(6)3;1-2;;;/h1-5H3;1-2H2;2*1H;/q;;;;+2/p-2
InChIKeyGFGASTQBSLNDST-UHFFFAOYSA-L
XLogP5.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.14
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 134888461?
The IUPAC name of CID 134888461 (CID 134888461) is not available.
What is the SMILES notation for CID 134888461?
The canonical SMILES for CID 134888461 is C=C.C[C]1C(C)=C(C)C(C)=C1C.Cl[Ta]Cl.
What is the InChIKey of CID 134888461?
The InChIKey is GFGASTQBSLNDST-UHFFFAOYSA-L. The full InChI is InChI=1S/C10H15.C2H4.2ClH.Ta/c1-6-7(2)9(4)10(5)8(6)3;1-2;;;/h1-5H3;1-2H2;2*1H;/q;;;;+2/p-2.
What are the key properties of CID 134888461?
CID 134888461 has a molecular weight of 415.14 g/mol, XLogP of 5.45, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134888461 is sourced from PubChem (CID 134888461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).